NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6255 8.4249 119.2048 53.4226 40.0711 172.2997 2 Q 4.2031 8.5402 117.2412 55.1389 29.3430 174.4290 3 A 4.7220 9.4122 127.2889 51.2075 21.7566 175.4875 4 S 5.1838 8.9273 115.6140 56.2066 67.4966 173.4219 5 V 4.2820 8.6415 121.5859 62.9219 32.3992 175.0072 6 V 4.8718 8.8274 127.0286 60.6307 35.2528 174.3211 7 A 4.4755 8.8638 129.4529 52.3659 18.8837 177.4145 8 N 4.8240 9.2416 121.6010 54.0247 39.6862 173.9888 9 Q 4.6143 7.5798 114.0785 55.3487 31.8704 173.6480 10 L 4.1996 8.5065 121.9504 55.4912 42.9751 176.0192 11 I 4.4317 8.7068 127.3455 58.8281 39.1796 173.6920 12 P 4.6742 0.0000 0.0000 61.9122 32.1354 176.3568 13 I 3.7850 8.3863 121.5195 61.9924 38.6461 174.8562 14 N 4.3809 8.3221 122.5572 55.0594 36.9162 174.4908 15 T 4.7286 7.5585 112.3020 61.3740 72.0634 174.2762 16 A 4.5205 8.6256 128.2659 51.7949 19.4651 177.0673 17 L 4.3154 9.1898 123.2475 54.8756 43.1521 176.4977 18 T 4.8759 8.2592 112.1421 59.5010 71.9173 175.1138 19 L 4.0518 8.5071 121.3138 57.7719 41.7914 179.7912 20 V 3.8277 7.1811 110.1869 63.2191 31.8786 176.9007 21 M 4.2248 8.0729 119.4017 56.3514 32.3524 175.2480 22 M 5.1994 7.6605 118.7880 53.4969 34.4880 175.6348 23 R 4.7568 8.8419 121.3757 54.4066 33.1405 174.7854 24 S 5.2301 8.3821 112.5392 56.8371 65.5586 173.2680 25 E 4.7051 8.8811 121.4851 54.8354 34.6667 174.7772 26 V 4.4901 8.3306 121.8871 62.2856 31.5746 175.3744 27 V 4.6097 8.1713 119.9680 59.7568 35.6857 175.0620 28 T 4.6032 8.0316 114.4445 59.6207 70.1179 171.8024 29 P 4.5185 0.0000 0.0000 62.0965 32.3486 175.9176 30 V 3.8798 8.1416 119.0037 62.7331 32.5864 175.8525 31 G 4.4601 8.2857 114.6432 45.1633 0.0000 172.3082 32 I 4.0489 8.1633 122.7036 60.6688 38.3157 174.4257 33 P 4.7951 0.0000 0.0000 62.8410 31.9627 177.4491 34 A 4.0579 8.6747 123.9082 54.9521 18.0544 179.8535 35 E 4.1106 8.1447 114.7546 58.7748 30.1592 177.7703 36 D 4.7428 8.1288 119.1876 54.4143 41.0413 177.8929 37 I 3.6971 7.7384 123.0120 63.9955 37.1157 176.1683 38 P 4.2600 0.0000 0.0000 65.6075 30.9368 177.7040 39 R 4.4093 7.6944 112.2176 56.5781 30.1254 177.2845 40 L 4.1730 7.9648 119.4584 56.8037 42.0187 177.2713 41 V 3.8370 6.9644 117.4076 64.6936 31.5280 176.3764 42 S 4.2304 9.2464 122.6342 58.8017 61.9483 169.7417 43 M 4.4439 8.1519 120.7057 55.2475 33.3262 175.3276 44 Q 5.3468 8.3855 119.2057 53.8786 31.7990 175.5988 45 V 4.5303 8.2414 115.2185 60.8937 33.4652 176.1081 46 N 4.9549 8.9836 119.7721 52.7813 38.4000 174.1379 47 R 4.6383 7.5371 114.0976 54.9451 32.5017 174.4422 48 A 4.3538 8.5600 122.0392 52.0931 19.4742 177.3214 49 V 4.2341 8.9285 121.8858 60.2865 33.8831 173.4703 50 P 4.6817 0.0000 0.0000 61.9587 32.7172 175.9502 51 L 3.9847 8.4476 123.4553 57.0897 42.2267 177.5204 52 G 3.9241 8.9348 113.3385 45.9628 0.0000 173.2521 53 T 4.3202 7.5740 116.8192 62.9206 69.9135 174.4034 54 T 4.4253 8.3792 122.6860 63.4943 69.5291 174.0854 55 L 4.2991 8.8765 127.0346 54.5125 42.9915 176.2537 56 M 4.9101 8.3689 122.4276 52.5393 34.9071 174.9650 57 P 3.9637 0.0000 0.0000 65.7576 31.5905 177.9911 58 D 4.6235 7.9806 114.6837 54.6915 39.8667 176.5837 59 M 4.4762 8.1356 119.3917 55.1349 32.7120 175.5500 60 V 4.6261 7.2298 119.7664 60.3121 33.3324 174.8415 61 K 4.0952 8.8941 128.3265 57.8774 32.1246 177.6095 62 G 3.9499 9.0240 112.0130 45.3930 0.0000 172.4436 63 Y 4.2522 7.6068 120.9641 56.8248 39.4739 174.6497 64 A 4.2615 7.3927 128.3978 50.5345 22.3195 175.7474 65 A 3.8427 8.2420 124.6122 52.2852 18.5688 177.2031 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 N 8.42 4.63 0.00 2.70 2.84 0.00 0.00 7.04 6.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 8.54 4.20 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 3 A 9.41 4.72 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.93 5.18 0.00 3.69 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.64 4.28 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.00 0.00 0.00 6 V 8.83 4.87 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.92 0.00 0.00 7 A 8.86 4.48 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 N 9.24 4.82 0.00 2.66 2.95 0.00 0.00 7.05 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.58 4.61 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 10 L 8.51 4.20 0.00 1.65 1.61 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.71 4.43 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.79 0.90 0.00 0.00 12 P 0.00 4.67 0.00 1.93 1.98 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 13 I 8.39 3.79 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.73 0.91 0.00 0.00 14 N 8.32 4.38 0.00 2.89 2.85 0.00 0.00 6.75 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.56 4.73 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 16 A 8.63 4.52 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 9.19 4.32 0.00 1.75 1.59 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.26 4.88 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 19 L 8.51 4.05 0.00 1.73 1.76 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.18 3.83 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.93 0.00 0.00 21 M 8.07 4.22 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 22 M 7.66 5.20 0.00 1.81 1.95 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 23 R 8.84 4.76 0.00 1.85 2.06 0.00 2.70 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 24 S 8.38 5.23 0.00 3.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.88 4.71 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 26 V 8.33 4.49 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 27 V 8.17 4.61 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.98 0.00 0.00 28 T 8.03 4.60 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 29 P 0.00 4.52 0.00 2.21 2.04 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 30 V 8.14 3.88 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 31 G 8.29 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.16 4.05 1.72 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.55 0.76 0.00 0.00 33 P 0.00 4.80 0.00 2.23 2.20 0.00 3.78 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.03 0.00 34 A 8.67 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.14 4.11 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 36 D 8.13 4.74 0.00 2.96 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.74 3.70 1.95 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.82 0.91 0.00 0.00 38 P 0.00 4.26 0.00 2.22 2.34 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 39 R 7.69 4.41 0.00 1.99 2.12 0.00 3.07 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.68 0.00 40 L 7.96 4.17 0.00 1.90 1.75 0.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 41 V 6.96 3.84 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.98 0.00 0.00 42 S 9.25 4.23 0.00 4.05 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 M 8.15 4.44 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 44 Q 8.39 5.35 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.21 0.00 45 V 8.24 4.53 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.99 0.00 0.00 46 N 8.98 4.95 0.00 2.82 3.03 0.00 0.00 6.77 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.54 4.64 0.00 1.78 1.89 0.00 3.02 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 48 A 8.56 4.35 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.93 4.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.98 0.00 0.00 50 P 0.00 4.68 0.00 2.10 1.95 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 51 L 8.45 3.98 0.00 1.57 1.59 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.93 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.57 4.32 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 54 T 8.38 4.43 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 55 L 8.88 4.30 0.00 1.71 1.47 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.37 4.91 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 57 P 0.00 3.96 0.00 2.27 2.42 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 58 D 7.98 4.62 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 M 8.14 4.48 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 60 V 7.23 4.63 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.80 0.00 0.00 61 K 8.89 4.10 0.00 1.89 1.77 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.40 7.81 62 G 9.02 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 7.61 4.25 0.00 2.88 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.39 4.26 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.24 3.84 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00